• Title/Summary/Keyword: Ion formation mechanism

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Formation Mechanism of Chlorate ($ClO_3\;^-$) by Electrochemical Process (전기화학적 공정에 의한 클로레이트의 생성메커니즘)

  • Baek, Ko-Woon;Jung, Yeon-Jung;Kang, Joon-Wun;Oh, Byung-Soo
    • Journal of Korean Society of Environmental Engineers
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    • v.31 no.8
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    • pp.627-634
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    • 2009
  • This study was done to find out the formation mechanism of chlorate by electrochemical process using chloride ion ($Cl^-$) as an electrolyte. Firstly, the effective factors such as pH and initial chloride concentration were figured out to see the formation property of chlorate during electrolysis. And the relation of free chlorine, and mixed oxidants such as OH radical and ozone with chlorate were estimated to concretize the formation mechanism. As a result, it was found that the major reaction of chlorate formation would be electrochemical reaction with free chlorine, and also the direct oxidation of chloride ion and the reaction by OH radical were participated in the formation of chlorate. Moreover, it was observed that formed chlorate was oxidized to perchlorate. Lastly, the optimum condition was recommended by comparing free chlorine with chlorate concentration during the electrochemical process with the different electrode separation.

First-principles Study on the Formation of Solid-Electrolyte Interphase on the LiMn2O4 Cathode in Li-Ion Batteries (제일원리 전산모사를 통한 리튬 이온 전지의 LiMn2O4 전극-전해질 계면 반응 분석)

  • Choe, Dae-Hyeon;Gang, Jun-Hui;Han, Byeong-Chan
    • Proceedings of the Korean Institute of Surface Engineering Conference
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    • 2016.11a
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    • pp.97-97
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    • 2016
  • Development of advanced Li-ion battery cells with high durability is critical for safe operation, especially in applications to electric vehicles and portable electronic devices. Understanding fundamental mechanism on the formation of a solid-electrolyte interphase (SEI) layer, which plays a substantial role in the electrochemical stability of the Li-ion battery, in a cathode was rarely reported unlike in an anode. Using first-principles density functional theory (DFT) calculations and ab-initio molecular dynamic (AIMD) simulations we demonstrate atomic-level process on the generation of the SEI layer at the interface of a carbonate-based electrolyte and a spinel $LiMn_2O_4$ cathode. To accomplish the object we calculate the energy band alignment between the work function of the cathode and frontier orbitals of the electrolyte. We figure out that a proton abstraction from the carbonate-based electrolyte is a critical step for the initiation of an SEI layer formation. Our results can provide a design concept for stable Li-ion batteries by optimizing electrolytes to form proper SEI layers.

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Development of Catalytic Characteristics for Enhancement of Iso-Butene Yield in Isomerization of 1-butene (1-butene의 골격 이성질화 반응에 있어서의 Iso-butene 수율 제고를 위한 촉매 특성 개발)

  • Kim, Jin Gul
    • Applied Chemistry for Engineering
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    • v.8 no.2
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    • pp.191-196
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    • 1997
  • The isothermal reduction on $Pt/MoO_3/SiO_2$ at $50^{\circ}C$ demonstrates that the rate of hydrogen spillover is increased as calciantion temperature increases. That is due to the overlayer formation over the surface of Pt crystallites, investigated by TEM and CO chemisorption. It is known that reaction mechanism of skeletal isomerization of 1-butene into iso-butene is composed of 2 step such as formation of carbonium ion and isomerization of methyl group. It is expected that the increase of i-butene yield after calcination at $250^{\circ}C$ is due to increased rate of hydrogen spillover coming from first, overlayer formation over Pt surface and second, chlorine lessoning from $PtCl_x$ precursor.

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Nucleation, Growth and Properties of $sp^3$ Carbon Films Prepared by Direct $C^-$ Ion Beam Deposition

  • Kim, Seong I.
    • The Korean Journal of Ceramics
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    • v.3 no.3
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    • pp.173-176
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    • 1997
  • Direct metal ion beam deposition is considered to be a whole new thin film deposition technique. Unlike other conventional thin film deposition processes, the individual deposition particles carry its own ion beam energies which are directly coupled for the formation of this films. Due to the nature of ion beams, the energies can be controlled precisely and eventually can be tuned for optimizing the process. SKION's negative C- ion beam source is used to investigate the initial nucleation mechanism and growth. Strong C- ion beam energy dependence has been observed. Complete phase control of sp3 and sp3, control of the C/SiC/Si interface layer, control of crystalline and amorphous mode growth, and optimization of the physical properties for corresponding applications can be achieved.

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Solid-Electrolyte Interphase in the Spinel Cathode Exposed to Carbonate Electrolyte in Li-Ion Battery Application: An ab-initio Study

  • Choe, Dae-Hyeon;Gang, Jun-Hui;Han, Byeong-Chan
    • Proceedings of the Korean Institute of Surface Engineering Conference
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    • 2017.05a
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    • pp.169-169
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    • 2017
  • Due to key roles for the electrochemical stability and charge capacity the solid-electrolyte interphase (SEI) has been extensively studied in anodes of a Li-ion battery cell. There is, however, few of investigation for cathodes. Using first-principles based calculations we describe atomic-level process of the SEI layer formation at the interface of a carbonate electrolyte and $LiMn_2O_4$ spinel cathode. Furthermore, using beyond the conventional density functional theory (DFT+U) calculations we examine the work function of the cathode and frontier orbitals of the electrolyte. Based on the results we propose that proton transfer at the interface is an essential mechanism initiating the SEI layer formation in the $LiMn_2O_4$. Our results can guide a design concept for stable and high capacity Li-ion battery cell through screening an optimum electrolyte fine-tuned energy band alignment for a given cathode.

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Mechanism of Wrinkle Formation on Styrene-Butadiene-Styrene Block Copolymer via Ion-Beam Irradiation (Styrene-Butadiene-Styrene Block Copolymer 위 이온빔 조사를 이용한 주름 구조 생성 메커니즘 연구)

  • Lee, Ju Hwan;Kim, Dai-Hyun
    • Journal of the Korean Institute of Electrical and Electronic Material Engineers
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    • v.34 no.2
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    • pp.130-135
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    • 2021
  • Wrinkle patterns were fabricated on styrene-butadiene-styrene (SBS) block copolymer substrates using ion-beam (IB) irradiation with various intensities. The wavelength of the wrinkle pattern increased as the IB intensity was increased from 800 to 1,600 eV. IB irradiation-induced changes in the surface properties that were confirmed via physicochemical surface analyses. X-ray photoelectron spectroscopy analysis revealed chemical surface reformation due to the IB irradiation, resulting in C-O/C=O bonds after IB irradiation that were not reported before. These results indicate that the surface chemical modification caused by IB irradiation is strongly related to the surface modulus, which is important when fabricating wrinkle patterns. Furthermore, a strong IB irradiation induced a strong compressive strain; thus the size of the wrinkle pattern was increased.

Efficiency of Gas-Phase Ion Formation in Matrix-Assisted Laser Desorption Ionization with 2,5-Dihydroxybenzoic Acid as Matrix

  • Park, Kyung Man;Ahn, Sung Hee;Bae, Yong Jin;Kim, Myung Soo
    • Bulletin of the Korean Chemical Society
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    • v.34 no.3
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    • pp.907-911
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    • 2013
  • Numbers of matrix- and analyte-derived ions and their sum in matrix-assisted laser desorption ionization (MALDI) of a peptide were measured using 2,5-dihydroxybenzoic acid (DHB) as matrix. As for MALDI with ${\alpha}$-cyano-4-hydroxy cinnamic acid as matrix, the sum was independent of the peptide concentration in the solid sample, or was the same as that of pure DHB. This suggested that the matrix ion was the primary ion and that the peptide ion was generated by matrix-to-peptide proton transfer. Experimental ionization efficiencies of $10^{-5}-10^{-4}$ for peptides and $10^{-8}-10^{-7}$ for matrices are far smaller than $10^{-3}-10^{-1}$ for peptides and $10^{-5}-10^{-3}$ for matrices speculated by Hillenkamp and Karas. Number of gas-phase ions generated by MALDI was unaffected by laser wavelength or pulse energy. This suggests that the main role of photo-absorption in MALDI is not in generating ions via a multi-photon process but in ablating materials in a solid sample to the gas phase.

Absorption Rate of Oxygen in water soluble inks on the Printing Rollers. (인쇄용 로울러에서 수용성 잉크의 산소흡수 속도에 관한연구)

  • JongTaeYoun
    • Journal of the Korean Graphic Arts Communication Society
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    • v.7 no.1
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    • pp.16-30
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    • 1989
  • The anodixed aluminium film by sulfuric acid - method has many pores, the inner, called barrier layers, is active. They have strong absorption of dye. on be other, the absorption of dye is lost by Sealing, the surface is not dyed. We make IMAGE FORMATION on the film by the chemical behavior. This study made sure whether ion absorption is not in the barrier layer by IRRS and ESCA, considerated the mechanism of inage formation.

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The Effect of Iron Catalysts on the Formation of Alcohol and Ketone in the Biomimetic Oxidation of Cyclohexane

  • Kim Seong-Bo;Lee Kyu-Wan;Kim, Yong-Joon;Hong Seog-In
    • Bulletin of the Korean Chemical Society
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    • v.15 no.6
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    • pp.424-427
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    • 1994
  • Effects of iron compounds in known biomimetic oxidation systems (Gif IV and GoAgg II) have been studied on activity and ketone/alcohol selectivity of cyclohexane oxidation. Both ketone/alcohol ratio and cyclohexane conversion were affected by counter-ion Z of iron compounds Z-Fe. When Z has a more electron withdrawing property, the reactivity is increased and the formation of ketone is favored. From these experimental results, a new mechanism is proposed for the biomimetic oxidation system.

QMF Ion Beam System Development for Oxide Etching Mechanism Study (산화막 식각 기구 연구를 위한 QMF Ion Beam 장치의 제작)

  • 주정훈
    • Journal of the Korean institute of surface engineering
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    • v.37 no.4
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    • pp.220-225
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    • 2004
  • A new ion beam extraction system is designed using a simple ion mass filter and a micro mass balance and a QMS based detecting system. A quadrupole Mass Filter is used for selective ion beam formation from inductively coupled high density plasma sources with appropriate electrostatic lens and final analyzing QMS. Also a quartz crystal microbalance is set between a QMF and a QMS to measure the etching and polymerization rate of the mass selected ion beam. An inductively coupled plasma was used as a ion/radical source which had an electron temperature of 4-8 eV and electron density of $4${\times}$10^{11}$#/㎤. A computer interfaced system through 12bit AD-DA board can control the pass ion mass of the qmf by setting RF/DC voltage ratio applied to the quadrupoles so that time modulation of pass ion's mass is possible. So the direct measurements of ion - surface chemistry can be possible in a resolution of $1\AA$/sec based on the qcm's sensitivity. A full set of driving software and hardware setting is successfully carried out to get fundamental plasma information of the ICP source and analysed $Ar^{+}$ beam was detected at the $2^{nd}$ QMS.